2-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-1,3-benzoxazole Formula: C24H24N4O3S2 MolecularWeight: 480.60236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H24N4O3S2/c29-33(30,28-14-12-27(13-15-28)17-19-6-2-1-3-7-19)20-10-11-24(25-16-20)32-18-23-26-21-8-4-5-9-22(21)31-23/h1-11,16H,12-15,17-18H2